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CAS 81565-20-0 2,3,6-Trichloro-4-(trifluoromethyl)pyridine molecular structure lightbox
CAS RN: 81565-20-0

2,3,6-Trichloro-4-(trifluoromethyl)pyridine

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250303 100mg In stock Shanghai Inquiry
Batchno.20250818 1g In stock Shanghai Inquiry
Batchno.20260113 250mg In stock Shanghai Inquiry
  • Product code: SSC-189975
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 81565-20-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

81565-20-0 / 2,3,6-trichloro-4-(trifluoromethyl)pyridine

Standard CAS: 81565-20-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
81565-20-0
Multi CAS
No
Molecular Formula
C6HCL3F3N
Molecular Weight
250.400000
Exact Mass
248.912667
InChI
InChI=1S/C6HCl3F3N/c7-3-1-2(6(10,11)12)4(8)5(9)13-3/h1H
InChIKey
KCMZCZXPLOZOGG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
1
Molar refractivity
44.27
TPSA
12.89

LogP / Solubility

WLOGP
4.06
MLOGP
3.58
XLogP3
4.3
Consensus LogP
3.98
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.66
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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